N-(3,3-dimethylbutyl)-N-phosphanylpropanamide

C9H20NOP — CID 143596232

IUPACN-(3,3-dimethylbutyl)-N-phosphanylpropanamide
SMILESCCC(=O)N(P)CCC(C)(C)C
InChIInChI=1S/C9H20NOP/c1-5-8(11)10(12)7-6-9(2,3)4/h5-7,12H2,1-4H3
InChIKeyKWODAQSILLHEPO-UHFFFAOYSA-N
MW189.24 g/mol
LogP2.45
Rot. Bonds3

About N-(3,3-dimethylbutyl)-N-phosphanylpropanamide

N-(3,3-dimethylbutyl)-N-phosphanylpropanamide (PubChem CID 143596232) has the molecular formula C9H20NOP and a molecular weight of 189.24 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-N-phosphanylpropanamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-N-phosphanylpropanamide
PubChem CID143596232
Molecular FormulaC9H20NOP
Molecular Weight189.24 g/mol
Exact Mass189.13
IUPAC NameN-(3,3-dimethylbutyl)-N-phosphanylpropanamide
SMILESCCC(=O)N(P)CCC(C)(C)C
InChIInChI=1S/C9H20NOP/c1-5-8(11)10(12)7-6-9(2,3)4/h5-7,12H2,1-4H3
InChIKeyKWODAQSILLHEPO-UHFFFAOYSA-N
XLogP2.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-N-phosphanylpropanamide?
The IUPAC name of N-(3,3-dimethylbutyl)-N-phosphanylpropanamide (CID 143596232) is N-(3,3-dimethylbutyl)-N-phosphanylpropanamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-N-phosphanylpropanamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-N-phosphanylpropanamide is CCC(=O)N(P)CCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-N-phosphanylpropanamide?
The InChIKey is KWODAQSILLHEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NOP/c1-5-8(11)10(12)7-6-9(2,3)4/h5-7,12H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)-N-phosphanylpropanamide?
N-(3,3-dimethylbutyl)-N-phosphanylpropanamide has a molecular weight of 189.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-N-phosphanylpropanamide is sourced from PubChem (CID 143596232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).